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Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface 期刊论文
journal of chemical physics, 2014, 卷号: 140, 期号: 14, 页码: 144701
作者:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载:16/0  |  提交时间:2014/09/11
Six-dimensional potential energy surface of the dissociative chemisorption of HCl on Au(111) using neural networks 期刊论文
science china-chemistry, 2014, 卷号: 57, 期号: 1, 页码: 147-155
作者:  Liu TianHui;  Fu BiNa;  Zhang Dong H
收藏  |  浏览/下载:21/0  |  提交时间:2014/09/11
Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface 期刊论文
journal of chemical physics, 2013, 卷号: 139, 期号: 18, 页码: 184705
作者:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载:21/0  |  提交时间:2014/09/11
Sensing mechanism for a fluoride chemosensor: invalidity of excited-state proton transfer mechanism 期刊论文
physical chemistry chemical physics, 2013, 卷号: 15, 期号: 38, 页码: 16183-16189
作者:  Chen, Jun-Sheng;  Zhou, Pan-Wang;  Yang, Song-Qiu;  Fu, Ai-Ping;  Chu, Tian-Shu
收藏  |  浏览/下载:11/0  |  提交时间:2014/09/11
Ultrafast photoinduced dynamics of halogenated cyclopentadienes: observation of geminate charge-transfer complexes in solution 期刊论文
physical chemistry chemical physics, 2013, 卷号: 15, 期号: 18, 页码: 6673-6683
作者:  Wolf, T. J. A.;  Schalk, O.;  Radloff, R.;  Wu, G.;  Lang, P.
收藏  |  浏览/下载:13/0  |  提交时间:2014/09/11
FACILITATED PHOTOLYSIS OF 9-FLUORENOL IN ALCOHOLS BY EXCITED-STATE HYDROGEN BOND REORGANIZATION 期刊论文
journal of theoretical & computational chemistry, 2012, 卷号: 11, 期号: 3, 页码: 493-504
作者:  Liu, Yu-Hui;  Zhou, Pan-Wang
收藏  |  浏览/下载:14/0  |  提交时间:2013/10/11
The invalidity of the photo-induced electron transfer mechanism for fluorescein derivatives 期刊论文
physical chemistry chemical physics, 2012, 卷号: 14, 期号: 43, 页码: 15191-15198
作者:  Zhou, Panwang;  Liu, Jianyong;  Yang, Songqiu;  Chen, Junsheng;  Han, Keli
收藏  |  浏览/下载:13/0  |  提交时间:2013/10/11
TDDFT Study on Different Sensing Mechanisms of Similar Cyanide Sensors Based on Michael Addition Reaction 期刊论文
chinese journal of chemical physics, 2011, 卷号: 24, 期号: 3, 页码: 305-310
作者:  Li, Guang-yue;  Song, Ping;  He, Guo-zhong
收藏  |  浏览/下载:9/0  |  提交时间:2012/07/09
Theory of proton coupled electron transfer reactions: Assessing the born–oppenheimer approximation for the proton motion using an analytically solvable model 期刊论文
Chem. Phys., 2010, 卷号: 379, 期号: 1, 页码: 39-45
郑仁慧; 景园园; 陈丽平; 史强
收藏  |  浏览/下载:18/0  |  提交时间:2014/10/14
密度泛函方法对有机反应和有机催化反应体系的理论研究 学位论文
博士: 中国科学院研究生院, 2006
王红明
收藏  |  浏览/下载:43/2  |  提交时间:2011/07/11


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